(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate

C11H10N2O4 — CID 136506166

IUPAC(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate
SMILESCOc1ccc2c(=O)[nH]c(OC(C)=O)nc2c1
InChIInChI=1S/C11H10N2O4/c1-6(14)17-11-12-9-5-7(16-2)3-4-8(9)10(15)13-11/h3-5H,1-2H3,(H,12,13,15)
InChIKeyPFIXCMVFFMTNIN-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.86
Rot. Bonds2

About (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate

(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate (PubChem CID 136506166) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate.

Molecular Properties

Compound Name(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate
PubChem CID136506166
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate
SMILESCOc1ccc2c(=O)[nH]c(OC(C)=O)nc2c1
InChIInChI=1S/C11H10N2O4/c1-6(14)17-11-12-9-5-7(16-2)3-4-8(9)10(15)13-11/h3-5H,1-2H3,(H,12,13,15)
InChIKeyPFIXCMVFFMTNIN-UHFFFAOYSA-N
XLogP0.86
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate?
The IUPAC name of (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate (CID 136506166) is (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate.
What is the SMILES notation for (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate?
The canonical SMILES for (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate is COc1ccc2c(=O)[nH]c(OC(C)=O)nc2c1.
What is the InChIKey of (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate?
The InChIKey is PFIXCMVFFMTNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6(14)17-11-12-9-5-7(16-2)3-4-8(9)10(15)13-11/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate?
(7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate has a molecular weight of 234.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-oxo-3H-quinazolin-2-yl) acetate is sourced from PubChem (CID 136506166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).